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At least 397 records · Page 22

Computational techniques for flows with finite-rate condensation

A computational method to simulate the inviscid two-dimensional flow of a two-phase fluid was developed. This computational technique treats the gas phase and each of a prescribed number of particle sizes as separate fluids which are allowed to interact with one another. Thus, each particle-size class is allowed to move through the fluid at its own velocity at each point in the flow field. Mass, momentum, and energy are exchanged between each particle class and the gas phase. It is assumed that the particles do not collide with one another, so that there is no inter-particle exchange of momentum and energy. However, the particles are allowed to grow, and therefore, they may change from one size class to another. Appropriate rates of mass, momentum, and energy exchange between the gas and particle phases and between the different particle classes were developed. A numerical method was developed for use with this equation set. Several test cases were computed and show qualitative agreement with previous calculations.

Candler, Graham V.↗

Comparison of three atmospheric correction models for a vegetated airborne visible/infrared imaging spectrometer (AVIRIS) scene

Current atmospheric correction models applied to imaging spectroscopy data include such methods as residual or scene average, flat field correction, regression method or empirical line algorithm, the continuum interpolated band ratio (CIBR) derivation and the LOWTRAN 7 method. Due to the limitations of using residual and flat field corrections on vegetated scenes, three methods will be compared: regression, CIBR derivation and LOWTRAN 7. Field-measured bright and dark targets taken at the time of the 13 April, 1989 AVIRIS overflight of Jasper Ridge, California were used to formulate the regression method atmospheric correction. Using this corrected scene as 'ground truth', the CIBR derivation and the LOWTRAN 7 method with both input models are compared on the vegetated Jasper Ridge scene. Although representing a qualitative approach, this is a first approximation and shows the need for more quantitative analysis.

Van Den Bosch, J. M.↗

In-Depth Analysis of Subject Functional Performance and Subjective Feedback Data for Evaluating Argos Simulation Quality

Mechanical offloading systems such as the Active Response Gravity Offload System (ARGOS) at NASA Johnson Space Center (JSC) are used to simulate various partial gravity environments. ARGOS offloads pressurized suited subjects through a gimbaling pivot point system attached to a volumetric Portable Life Support System (PLSS). The pivot point can be configured to multiple locations with respect to the human-suit system center of gravity (CG). Previous work has tested and documented the interaction between different pivot point locations and measured CG. Observations indicated that small changes in pivot point location substantially affect the stability and functional performance (simulation quality) of a subject. This led to the development of a standardized gimbal assessment protocol to assess the functional performance of a pressurized suited subject as a function of the pivot point location, using the data obtained from a variety of planetary suit mobility tasks. As a result, an expansive repository of CG-related task metrics was generated from numerous ARGOS spacesuit test events, for different gimbal configurations and different test subjects. Based on the evaluation metrics and observed trends, several pivot point locations were iteratively identified to determine an “appropriate/optimal” configuration. This study thus describes the in-depth analysis of the CG evaluation metrics to better quantify trends and determine if specific factors are strongly associated with appropriate/optimal configurations. Quantitative and qualitative variables relating to subject task performance, subjective feedback, and anthropometry will be evaluated via probabilistic methods. The results from this study are expected to improve our understanding of optimal ARGOS gimbal settings, which will better inform the gimbal configuration identification process and improve simulation quality for extravehicular activity (EVA) training.

Joseph Yao↗

COMPUTATIONAL MODELING OF IGNITION AND PREMIXED FLAME PROPAGATION INITIATED BY A PRE-CHAMBER TURBULENT JET

Addressing the pressing need for reduced carbon emissions, Turbulent Jet Ignition (TJI) emerges as a promising technology for ultra-lean combustion, offering enhanced thermal efficiencies and minimized cyclic variability in spark-ignited engines. To facilitate rapid testing and integration of this technology, a robust computational modeling framework is crucial. This study delves into the predictive capabilities of computational models for main-chamber ignition and premixed flame propagation using a single-cycle TJI rig measured by Biswas et al. (Applied Thermal Engineering, vol 106, 2016). Employing an open-source compressible flow simulation solver with Large Eddy Simulation (LES) for turbulence modeling, the investigation integrates the conventional Laminar Finite Rate Chemistry (LFRC) model alongside the transported Probability Density Method (PDF) for turbulence-chemistry interaction. A fully-consistent Eulerian Monte-Carlo Fields (EMCF) method is utilized to approximate the transported PDF, while Interaction by Exchange with Mean is employed to close micro-mixing terms in stochastic differential equations. A reduced chemical reaction mechanism with 21 species and 84 reactions (DRM-19) is used for solving chemical kinetics, and a double Gaussian energy deposition model is used to approximate the spark ignition in the pre-chamber. An unstructured O-grid mesh with 0.3 million cells in the prechamber and 1 million cells in the main chamber is employed. Results are divided into two phases: pre-chamber initialization and full TJI simulations. Validation of the predicted pre-chamber flame propagation and the lean ignition in the main-chamber is carried out by using available experimental data. Under quiescent conditions, both the LFRC and transported PDF methods largely underestimate the flame speed and subsequent pressure growth in the pre-chamber. A linear momentum forcing technique is applied to investigate the impact of initial turbulence in the pre-chamber, demonstrating a notable influence on flame propagation. Fine-tuning of the forcing coefficient reproduces the sudden pressure growth observed in the experiment. The experimentally validated pre-chamber simulation serves as the initial condition for the full TJI simulations. It is found that the LFRC model fails to predict lean-ignition in the main-chamber, resulting in a misfiring event. Incorporation of turbulence-chemistry interaction using the transported PDF method substantially improves the prediction of the ignition event in the main-chamber, achieving fair qualitative agreement and quantitative validation of combustion parameters within ±10% of the reported experimental data. The rich simulation results consisting of a full set of statistical description of the thermo-chemical states enable us to gain deep insights into the ignition mechanisms in the main chamber, which is limited when done experimentally. A novel dual ignition phenomenon is revealed in the TJI rig for the first time. Initially, a primary ignition kernel is formed at a downstream location which eventually detaches from the main jet. As the jet momentum decreases, a secondary ignition event follows, this time at a more upstream location which eventually combines with the primary ignition kernel to form a single connected flame front. Investigation of these ignition sequences in chemical composition space reveal distinct differences between the two. The primary ignition event in the main-chamber is followed by a large concentration of active radicals from the pre-chamber jet, accelerating the chain-branching steps, characterizing what has been referred to as flame ignition. In contrast, the secondary ignition occurs in the absence of active radicals in the pre-chamber jet, hence characterized as jet ignition. Further analysis of the effect of pre-chamber jet characteristics on lean ignition in the main-chamber is conducted by setting up cases with different initial pressure ratios (por) between the two chambers, a non-dimensional parameter, ranging from 1.2 to 3.2. As the initial pressure ratio increases, jet momentum increases, with dual ignition observed in cases above por= 2.2. Case with por= 3.2 lead to misfiring. The effect of ignition sequence on global combustion characteristics of TJI is analyzed. Dual ignition events lead to non-monotonicity in combustion characteristics such as global reaction progress variable, flame penetration, and global heat release rate. In dual ignition events, although the rate of fuel consumption and global heat release rate is initially lower, the secondary ignition leads to a sudden increase in flame surface area, resulting in a sudden jump and promoting the overall performance of the TJI system.

42 ENGINEERING↗

Structural optimization by generalized, multilevel optimization

In the present development history for both a general multilevel optimization capability and a three-level structural optimization, which is taken to be qualitatively equivalent to a multilevel implementation, a structure is partitioned into a number of substructuring levels where each substructure corresponds to a subsystem. The method is illustrated by a portal framework that decomposes into individual beams, each of which is a box that can be further decomposed into stiffened plates. Substructuring therefore spans three different levels. Since further extensions would only add to the intermediate substructuring levels, the three-level case is qualitatively complete.

Sobieszczanski-Sobieski, J.↗

How Well Can Quantum Embedding Method Predict the Reaction Profiles for Hydrogenation of Small Li Clusters?

Quantum computing leverages the principles of quantum mechanics in novel ways to tackle complex chemistry problems that cannot be accurately addressed using traditional quantum chemistry methods. However, the high computational cost and available number of physical qubits with high fidelity limit its application to small chemical systems. This work employed a quantum-classical framework which features a quantum active space-embedding approach to perform simulations of chemical reactions that require up to 14 qubits. This framework was applied to prototypical example metal hydrogenation reactions: the coupling between hydrogen and Li 2 , Li 3 , and Li 4 clusters. Particular attention was paid to the computation of barriers and reaction energies. The predicted reaction profiles compare well with advanced classical quantum chemistry methods, demonstrating the potential of the quantum embedding algorithm to map out reaction profiles of realistic gas-phase chemical reactions to ascertain qualitative energetic trends. Additionally, the predicted potential energy curves provide a benchmark to compare against both current and future quantum embedding approaches.

36 MATERIALS SCIENCE↗

A Data-driven approach to Determining the Fidelity in the Hardware-in-the-loop Systems using Subspace Identification Method

One of the major questions in any Hardware-in-the-loop (HiL) simulation is to understand the fidelity of the HiL simulation itself which is most often indicated qualitatively as either high or low instead of quantifying it. Being cognizant of the level of fidelity forms the crux to assess the validity and credibility of the HiL simulation. In this work, we address this issue by developing a systematic, data-driven approach to assess the fidelity of any HiL simulation, and more specifically, the fidelity of the interface between the simulator and hardware in an HiL simulation. Applying a subspace identification method, a linear system representing the interface is obtained from the time-series data captured between the hardware and simulator in the HiL simulation. Finally, the fidelity is defined based on this linear system properties. The proposed data-driven fidelity quantification framework is illustrated on the IEEE 123 node feeder system running on HYPERSIM and interacting with virtual protection relays.

97 MATHEMATICS AND COMPUTING↗

The least-action method, cold dark matter, and omega

Peebles has suggested an interesting technique, called the least-action method, to trace positions of galaxies back in time. This method applied on the Local Group galaxies seems to indicate that we live in an omega approximately = 0.1 universe. We have studied a cold dark matter (CDM) N-body simulation with omega = 0.2 and H = 50 km/s/Mpc and compared trajectories traced back by the least-action method with the ones given by the center of mass of the CDM halos. We show that the agreement between these sets of trajectories is at best qualitative. We also show that the line-of-sight peculiar velocities of halos are underestimated. This discrepancy is due to orphans, i.e., CDM particles which do not end up in halos. We vary the value of omega in the least-action method until the line-of-sight velocities agree with the CDM ones. The best value for this omega underestimates one of the CDM simulations by a factor of 4-5.

Dunn, A. M.↗

Method and Apparatus for the Quantification of Particulate Adhesion Forces on Various Substrates

Mitigation strategies for lunar dust adhesion have typically been limited to qualitative analysis. This technical memorandum describes the generation and operation of an adhesion testing device capable of quantitative assessment of adhesion forces between particulates and substrates. An aerosolization technique is described to coat a surface with a monolayer of particulates. Agitation of this surface, via sonication, causes particles to dislodge and be gravitationally fed into an optical particle counter. Experimentally determined adhesion force values are compared to forces calculated from van der Waals interactions and are used to calculate the work of adhesion using Johnson-Kendall-Roberts (JKR) theory. Preliminary results indicate that a reduction in surface energy and available surface area, through topographical modification, improve mitigation of particulate adhesion.

Wohl, Christopher J.↗

COMPASO : A new halo finder for competitive assignment to spherical overdensities

We describe a new method (compaso) for identifying groups of particles in cosmological N-body simulations. compaso builds upon existing spherical overdensity (SO) algorithms by taking into consideration the tidal radius around a smaller halo before competitively assigning halo membership to the particles. In this way, the compaso finder allows for more effective deblending of haloes in close proximity as well as the formation of new haloes on the outskirts of larger ones. This halo-finding algorithm is used in the abacussummit suite of N-body simulations, designed to meet the cosmological simulation requirements of the Dark Energy Spectroscopic Instrument (DESI) survey. compaso is developed as a highly efficient on-the-fly group finder, which is crucial for enabling good load-balancing between the GPU and CPU and the creation of high-resolution merger trees. In this paper, we describe the halo-finding procedure and its particular implementation in abacus, accompanying it with a qualitative analysis of the finder. We test the robustness of the compaso catalogues before and after applying the cleaning method described in an accompanying paper and demonstrate its effectiveness by comparing it with other validation techniques. We then visualize the haloes and their density profiles, finding that they are well fit by the NFW formalism. Finally, we compare other properties such as radius–mass relationships and two-point correlation functions with that of another widely used halo finder, rockstar.

79 ASTRONOMY AND ASTROPHYSICS↗

Sulfur Molecules in Space by X-rays: A Computational Study

X-ray astronomy lacks high resolution spectra of interstellar dust analogues and molecules, severely hampering interstellar medium studies based on upcoming X-ray missions. Various theoretical approaches may be used to address this problem, but they must first be shown to reproduce reliable spectra compared to the experiment. In this work, we calculate the sulfur Kedge X-ray absorption spectra of H2S, SO2, and OCS, whose spectra are already known from X-ray experiments and predict the X-ray spectrum of CS, which as far as we are aware has not been measured, thereby hampering its detection by X-ray telescopes. We chose these four molecules as the astrochemistry of sulfur is an unsolved problem and as the four molecules are already known to exist in space. We consider three types of methods for modeling the X-ray spectra: more accurate calculations with the algebraic-diagrammatic construction (ADC) and the CC2, CCSD, and CC3coupled cluster (CC) approaches as well as more affordable ones with transition potential density functional theory (TP-DFT). A comparison of our computational results to previously reported experimental spectra shows that the core−valence separation (CVS)approaches CVS-ADC(2)-x and CVS-CC3 generally yield a good qualitative level of agreement with the experiment, suggesting that they can be used for interpreting measured spectra, while the TP-DFT method is not reliable for these molecules. However, quantitative agreement with the experiment is still outside the reach of the computational methods studied in this work.

Goranka Bilalbegovic↗

Solving puzzles in deformed JT gravity: phase transitions and non-perturbative effects

Recent work has shown that certain deformations of the scalar potential in Jackiw-Teitelboim gravity can be written as double-scaled matrix models. However, some of the deformations exhibit an apparent breakdown of unitarity in the form of a negative spectral density at disc order. We show here that the source of the problem is the presence of a multi-valued solution of the leading order matrix model string equation. While for a class of deformations we fix the problem by identifying a first order phase transition, for others we show that the theory is both perturbatively and non-perturbatively inconsistent. Aspects of the phase structure of the deformations are mapped out, using methods known to supply a non-perturbative definition of undeformed JT gravity. Some features are in qualitative agreement with a semi-classical analysis of the phase structure of two-dimensional black holes in these deformed theories.

2D gravity↗

Quantum algorithm for polaritonic chemistry based on an exact ansatz

Abstract Cavity-modified chemistry uses strong light-matter interactions to modify the electronic properties of molecules in order to enable new physical phenomena such as novel reaction pathways. As cavity chemistry often involves critical regions where configurations become nearly degenerate, the ability to treat multireference problems is crucial to understanding polaritonic systems. In this Letter, we show through the use of a unitary ansatz derived from the anti-Hermitian contracted Schrödinger equation that cavity-modified systems with strong correlation, such as the deformation of rectangular H 4 coupled to a cavity mode, can be solved efficiently and accurately on a quantum device. In contrast, while our quantum algorithm can be made formally exact, classical-computing methods as well as other quantum-computing algorithms often yield answers that are both quantitatively and qualitatively incorrect. Additionally, we demonstrate the current feasibility of the algorithm on near intermediate-scale quantum hardware by computing the dissociation curve of H 2 strongly coupled to a bosonic bath.

Warren, Samuel (ORCID:0000000157134454)↗

Numerical methods and hypoexponential approximations for gamma distributed delay differential equations

Abstract Gamma distributed delay differential equations (DDEs) arise naturally in many modelling applications. However, appropriate numerical methods for generic gamma distributed DDEs have not previously been implemented. Modellers have therefore resorted to approximating the gamma distribution with an Erlang distribution and using the linear chain technique to derive an equivalent system of ordinary differential equations (ODEs). In this work, we address the lack of appropriate numerical tools for gamma distributed DDEs in two ways. First, we develop a functional continuous Runge–Kutta (FCRK) method to numerically integrate the gamma distributed DDE without resorting to Erlang approximation. We prove the fourth-order convergence of the FCRK method and perform numerical tests to demonstrate the accuracy of the new numerical method. Nevertheless, FCRK methods for infinite delay DDEs are not widely available in existing scientific software packages. As an alternative approach to solving gamma distributed DDEs, we also derive a hypoexponential approximation of the gamma distributed DDE. This hypoexponential approach is a more accurate approximation of the true gamma distributed DDE than the common Erlang approximation but, like the Erlang approximation, can be formulated as a system of ODEs and solved numerically using standard ODE software. Using our FCRK method to provide reference solutions, we show that the common Erlang approximation may produce solutions that are qualitatively different from the underlying gamma distributed DDE. However, the proposed hypoexponential approximations do not have this limitation. Finally, we apply our hypoexponential approximations to perform statistical inference on synthetic epidemiological data to illustrate the utility of the hypoexponential approximation.

97 MATHEMATICS AND COMPUTING↗

Flexible rotor dynamics analysis

A digital computer program was developed to analyze the general nonaxisymmetric and nonsynchronous transient and steady-state rotor dynamic performance of a bending- and shear-wise flexible rotor-bearing system under various operating conditions. The effects of rotor material mechanical hysteresis, rotor torsion flexibility, transverse effects of rotor axial and torsional loading and the anisotropic, in-phase and out-of-phase bearing stiffness and damping force and moment coefficients were included in the program to broaden its capability. An optimum solution method was found and incorporated in the computer program. Computer simulation of experimental data was made and qualitative agreements observed. The mathematical formulations, computer program verification, test data simulation, and user instruction was presented and discussed.

Shen, F. A.↗

Backscattered UV radiation - Effects of multiple scattering and the lower boundary of the atmosphere

A method is proposed for the calculation of a multiple-scattering correction to the single-scattering calculation of the radiance of the terrestrial atmosphere resulting from backscattered ultraviolet solar radiation in the spectral region used in the ozone profile inversion. This method uses jointly the usual analytical and Monte Carlo methods. Effects of the lower boundary of the atmosphere, cloud tops, and ground surface are investigated both qualitatively and quantitatively. The ratio of multiple to single scattering is determined, and its importance in ozone profile inversion of backscattered UV solar radiation from the terrestrial atmosphere is evaluated. The polarization of the atmospheric radiance is treated briefly.

Aruga, T.↗

Fuel Systems Architecture (FSA) evaluation criteria and concept evaluation methodology

Consideration is given to two methods developed for the evaluation, screening, and ranking of concepts for Space Exploration Initiative vehicle propellant management systems. The methods selected for handling this multicriteria decision problem are based on the utility theory which transforms both qualitative and quantitative criteria into a nondimensional utility scale for comparison of dissimilar figures of merit. The development of the resultant FSA evaluation criteria and concept evaluation methodology is summarized.

Hendershot, J. E.↗